methyl 2-hydroxy-3-[N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate

C28H25N3O4 — CID 135837978

IUPACmethyl 2-hydroxy-3-[N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(/C(=N/c3ccc(CN4CCCC4=O)cc3)c3ccccc3)c(O)[nH]c2c1
InChIInChI=1S/C28H25N3O4/c1-35-28(34)20-11-14-22-23(16-20)30-27(33)25(22)26(19-6-3-2-4-7-19)29-21-12-9-18(10-13-21)17-31-15-5-8-24(31)32/h2-4,6-7,9-14,16,30,33H,5,8,15,17H2,1H3/b29-26+
InChIKeySHWVZUGUOIRBTR-PBBVDAKRSA-N
MW467.53 g/mol
LogP4.95
Rot. Bonds6

About methyl 2-hydroxy-3-[N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate

methyl 2-hydroxy-3-[N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate (PubChem CID 135837978) has the molecular formula C28H25N3O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
PubChem CID135837978
Molecular FormulaC28H25N3O4
Molecular Weight467.53 g/mol
Exact Mass467.18
IUPAC Namemethyl 2-hydroxy-3-[N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(/C(=N/c3ccc(CN4CCCC4=O)cc3)c3ccccc3)c(O)[nH]c2c1
InChIInChI=1S/C28H25N3O4/c1-35-28(34)20-11-14-22-23(16-20)30-27(33)25(22)26(19-6-3-2-4-7-19)29-21-12-9-18(10-13-21)17-31-15-5-8-24(31)32/h2-4,6-7,9-14,16,30,33H,5,8,15,17H2,1H3/b29-26+
InChIKeySHWVZUGUOIRBTR-PBBVDAKRSA-N
XLogP4.95
TPSA94.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze methyl 2-hydroxy-3-[N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate?
The IUPAC name of methyl 2-hydroxy-3-[N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate (CID 135837978) is methyl 2-hydroxy-3-[N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 2-hydroxy-3-[N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate?
The canonical SMILES for methyl 2-hydroxy-3-[N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate is COC(=O)c1ccc2c(/C(=N/c3ccc(CN4CCCC4=O)cc3)c3ccccc3)c(O)[nH]c2c1.
What is the InChIKey of methyl 2-hydroxy-3-[N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate?
The InChIKey is SHWVZUGUOIRBTR-PBBVDAKRSA-N. The full InChI is InChI=1S/C28H25N3O4/c1-35-28(34)20-11-14-22-23(16-20)30-27(33)25(22)26(19-6-3-2-4-7-19)29-21-12-9-18(10-13-21)17-31-15-5-8-24(31)32/h2-4,6-7,9-14,16,30,33H,5,8,15,17H2,1H3/b29-26+.
What are the key properties of methyl 2-hydroxy-3-[N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate?
methyl 2-hydroxy-3-[N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate has a molecular weight of 467.53 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate is sourced from PubChem (CID 135837978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).